SCHEMBL3530595

SCHEMBL3530595

O=c1c(Br)c(C2CC2)n(Cc2ccccn2)n1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 3/20 0.40
RECQL P46063 1/20 0.40
NOX4 Q9NPH5 3/20 0.39
GPR6 P46095 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CACNA1B Q00975 1/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35
PKM P14618 1/20 0.35
OPRM1 P35372 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3531974 0.90 HSD11B1 (0.45) HSD11B1CYP3A4KDM4ERECQLNOX4
SCHEMBL3535544 0.84 HSD11B1 (0.56) HSD11B1CYP3A4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3530690 0.83 HSD11B1 (0.43) HSD11B1CYP3A4KDM4EALDH1A1KMT2A
SCHEMBL3535175 0.82 KDM4E (0.42) HSD11B1CYP3A4KDM4ERECQLNOX4
SCHEMBL3535746 0.82 HSD11B1 (0.48) HSD11B1CYP3A4KMT2ASMN1; SMN2MEN1
SCHEMBL3534235 0.77 HSD11B1 (0.39) HSD11B1CYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL3529149 0.75 HSD11B1 (0.41) HSD11B1CYP3A4SMN1; SMN2
SCHEMBL3530836 0.75 HSD11B1 (0.46) HSD11B1CYP3A4KMT2ASMN1; SMN2MEN1
SCHEMBL3531287 0.74 HSD11B1 (0.38) HSD11B1CYP3A4ALDH1A1SMN1; SMN2OPRM1
SCHEMBL3535154 0.74 MAPK14 (0.39) KDM4EALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 HSD11B1 1/4885CYP3A4 45/4885KDM4E 2143/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.